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SCHEMBL30007052

SCHEMBL30007052

COc1cc(C(=O)NCC(O)(c2cc(C(C)(C)O)c(F)c(-c3ccc(F)cc3)n2)C2CC2)cc2cc(C3CC3)cnc12

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 3/20 0.34
▸ RIPK1 Q13546 4/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ MCHR1 Q99705 3/20 0.32
▸ HTR2C P28335 2/20 0.32
▸ ROCK2 O75116 1/20 0.32
▸ ROCK1 Q13464 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ ULK1 O75385 1/20 0.31
▸ CNR2 P34972 2/20 0.31
▸ EGLN2 Q96KS0 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25687509 1.00 CFTR (0.34) CFTRRIPK1CNR1MCHR1HTR2C
SCHEMBL25687225 0.91 CFTR (0.35) CFTRRIPK1CNR1MCHR1HTR2C
SCHEMBL25687494 0.90 CFTR (0.37) CFTRRIPK1MCHR1HTR2CROCK2
SCHEMBL25687503 0.90 CFTR (0.38) CFTRRIPK1ROCK2ROCK1ULK1
SCHEMBL25687300 0.90 CFTR (0.34) CFTRRIPK1CNR1MCHR1HTR2C
SCHEMBL30007232 0.90 CFTR (0.34) CFTRRIPK1CNR1MCHR1HTR2C
SCHEMBL23958761 0.89 CFTR (0.35) CFTRRIPK1CNR1ROCK2ROCK1
SCHEMBL23958708 0.89 CFTR (0.35) CFTRRIPK1CNR1ROCK2ROCK1
SCHEMBL23958644 0.88 CFTR (0.36) CFTRCNR1ROCK2ROCK1MAPT
SCHEMBL30007924 0.88 CFTR (0.36) CFTRCNR1ROCK2ROCK1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115461336-A RSV inhibiting 3-substituted quinoline and cinnoline derivatives 爱尔兰詹森科学公司 2022-12-09 — — CN disclosed